Geometry & MOs

Info

ID:

436337

PubChem CID:

135199104

Reduced:

NOH31C40 (1)

Stoich.:

ABC31D40 (1)

Weight, g/mol:

486.216615

ΔHf, kcal/mol:

188.66

Dipole, Da:

1.83

IP(EA), eV:

 -8.42(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3C=CC4=C([C@@H]3OC2)C5C=CC=CC5N=C4C6=CC=CC(=C6)C7=CC8=C(C=CC9=CC=CC=C98)C=C7

DOS

IR

Vibrations